2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4-(trifluoromethyl)aniline

Systemtic Name: 2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4-(trifluoromethyl)aniline Openeye Name: 2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4-(trifluoromethyl)aniline CAS Name: 2-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4-(trifluoromethyl)aniline IUPAC Name: 2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4-(trifluoromethyl)aniline Traditional Name: [2-nitro-4-(trifluoromethyl)phenyl]-[3-[4-(2-pyrimidyl)piperazino]propyl]amine Formula: C18H21F3N6O2 MolecularWeight: 410.39355

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C18H21F3N6O2/c19-18(20,21)14-3-4-15(16(13-14)27(28)29)22-7-2-8-25-9-11-26(12-10-25)17-23-5-1-6-24-17/h1,3-6,13,22H,2,7-12H2